- InChI
- InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21+,22+/m1/s1
- InChI Key
- CYSHNJQMYORNJI-WAGURGNTSA-N
- Formula
- C22H30O4
- SMILES
-
CC1=CCC2(C)CCC(O)(C(C)C)C2C(OC
(=O)c2ccc(O)cc2)C1 - Molecular Weight1
- 358.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -214.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.53 | Crippen Calculated Property | |
| logPoct/wat | 4.461 | Crippen Calculated Property | |
| McVol | 290.240 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Inp | 2684.00 | NIST | |
| Tboil | 1003.93 | K | Joback Calculated Property |
| Tc | 1244.36 | K | Joback Calculated Property |
| Tfus | 668.22 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1047.81; 1243.75] | J/mol×K | [1003.93; 1244.36] | 
|
| Cp,gas | 1047.81 | J/mol×K | 1003.93 | Joback Calculated Property |
| Cp,gas | 1075.31 | J/mol×K | 1044.00 | Joback Calculated Property |
| Cp,gas | 1104.38 | J/mol×K | 1084.07 | Joback Calculated Property |
| Cp,gas | 1135.40 | J/mol×K | 1124.14 | Joback Calculated Property |
| Cp,gas | 1168.72 | J/mol×K | 1164.21 | Joback Calculated Property |
| Cp,gas | 1204.71 | J/mol×K | 1204.29 | Joback Calculated Property |
| Cp,gas | 1243.75 | J/mol×K | 1244.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ferutinin.
Sources
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